2-(甲基磺酰基)-1H-咪唑 | 27098-98-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(甲基磺酰基)-1H-咪唑
• 中文别名: 2-甲砜基咪唑
• 英文名称: 2-Methylsulfonylimidazol
• 英文别名: 2-methanesulfonyl-1H-imidazole；2-Methylsulfonyl-imidazole；2-methylsulfonyl-1H-imidazole
• CAS: 27098-98-2
• 化学式: C₄H₆N₂O₂S
• mdl: MFCD01721366
• 分子量: 146.17
• InChiKey: YNKRJGZPPAUPLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  71.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933290090

反应信息

• 作为反应物：
  描述：

  2-(甲基磺酰基)-1H-咪唑 、 1-甲基-2-甲基磺酰基-5-硝基咪唑 在 sodium hydride 作用下， 生成 2-Methanesulfonyl-1'-methyl-5'-nitro-1'H-[1,2']biimidazolyl
  参考文献：
  名称：

  Nagarajan, K.; Arya, V. P.; Shah, R. K., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1982, vol. 21, # 10, p. 945 - 948

  摘要：

  DOI：

文献信息

• Cephalosporin derivatives, and compositions containing them
  申请人：Rhone-Poulenc Industries

  公开号：US04034088A1

  公开（公告）日：1977-07-05

  New cephalosporin derivatives of the general formula: ##STR1## in which R represents a straight or branched chain C.sub.1-4 alkyl radical, or a phenyl (straight or branched chain C.sub.1-4 alkyl) radical, n is 0, 1 or 2, and either R.sub.1 is a pyridinio ion and R.sub.2 is a carboxylato ion, or R.sub.1 represents a hydrogen atom, or an acetoxy, (5-methyl-1,3,4-thiadiazol-2-yl)-thio or (1-methyl-1,2,3,4-tetrazol-5-yl)-thio radical and R.sub.2 represents a carboxy radical or a radical of the formula; ##STR2## in which the radical: ##STR3## is a radical which can be removed easily by enzymatic means and in which R.sub.3 represents a hydrogen atom or a straight or branched chain C.sub.1-4 alkyl radical, a phenyl radical or a phenyl (C.sub.1-2 alkyl) radical and R.sub.4 represents a straight or branched chain C.sub.1-4 alkyl radical, a straight or branched chain C.sub.1-4 alkoxy radical, a cyclohexyl radical, a phenyl radical or a phenyl (C.sub.1-2 alkyl) radical; With the proviso that when R is an alkyl radical and either R.sub.1 is a hydrogen atom or an acetoxy radical and R.sub.2 is a carboxy radical or R.sub.1 is a pyridinio ion and R.sub.2 is a carboxylato ion, n is 1 or 2, and metal salts thereof and addition salts thereof with nitrogen-containing bases are new compounds; they possess valuable antibacterial properties, showing activity against both Gram-positive and Gram-negative bacteria.

  新的头孢菌素衍生物的一般式为：##STR1## 其中R代表直链或支链C.sub.1-4烷基基团，或苯基（直链或支链C.sub.1-4烷基）基团，n为0、1或2，且R.sub.1为吡啶离子，R.sub.2为羧酸根离子，或R.sub.1代表氢原子，或乙酰氧基，(5-甲基-1,3,4-噻二唑-2-基)-硫基或(1-甲基-1,2,3,4-四唑-5-基)-硫基基团，R.sub.2代表羧基基团或公式的基团：##STR2## 其中基团：##STR3## 是一种易于通过酶的手段去除的基团，且R.sub.3代表氢原子或直链或支链C.sub.1-4烷基基团、苯基基团或苯基（C.sub.1-2烷基）基团，R.sub.4代表直链或支链C.sub.1-4烷基基团、直链或支链C.sub.1-4烷氧基基团、环己基基团、苯基基团或苯基（C.sub.1-2烷基）基团；但当R为烷基基团且R.sub.1为氢原子或乙酰氧基，R.sub.2为羧基基团或R.sub.1为吡啶离子且R.sub.2为羧酸根离子时，n为1或2，其金属盐及其与含氮碱的加合物是新的化合物；它们具有有价值的抗菌性能，对革兰氏阳性和革兰氏阴性细菌均有活性。
• 4-Methyl-5-phenyl triazoles as selective inhibitors of 11β-hydroxysteroid dehydrogenase type I
  作者：Yuping Zhu、Steven H. Olson、Anne Hermanowski-Vosatka、Steven Mundt、Kashmira Shah、Marty Springer、Rolf Thieringer、Samuel Wright、Jianying Xiao、Hratch Zokian、James M. Balkovec

  DOI：10.1016/j.bmcl.2008.04.013

  日期：2008.6

  4-Methyl-5-phenyl-(1,2,4)-triazoles were identified as selective inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1). They were active in vitro and in an in vivo mouse pharmacodynamic (PD) model. The synthesis and structure activity relationships are presented. (c) 2008 Elsevier Ltd. All rights reserved.